N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine

C11H15N5O — CID 79817365

IUPACN-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine
SMILESCCNC1COCC1c1nnc2ccncn12
InChIInChI=1S/C11H15N5O/c1-2-13-9-6-17-5-8(9)11-15-14-10-3-4-12-7-16(10)11/h3-4,7-9,13H,2,5-6H2,1H3
InChIKeyZPHJWKKQDYNGCW-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.22
Rot. Bonds3

About N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine

N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine (PubChem CID 79817365) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine
PubChem CID79817365
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine
SMILESCCNC1COCC1c1nnc2ccncn12
InChIInChI=1S/C11H15N5O/c1-2-13-9-6-17-5-8(9)11-15-14-10-3-4-12-7-16(10)11/h3-4,7-9,13H,2,5-6H2,1H3
InChIKeyZPHJWKKQDYNGCW-UHFFFAOYSA-N
XLogP0.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine?
The IUPAC name of N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine (CID 79817365) is N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine?
The canonical SMILES for N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine is CCNC1COCC1c1nnc2ccncn12.
What is the InChIKey of N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine?
The InChIKey is ZPHJWKKQDYNGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-13-9-6-17-5-8(9)11-15-14-10-3-4-12-7-16(10)11/h3-4,7-9,13H,2,5-6H2,1H3.
What are the key properties of N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine?
N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine has a molecular weight of 233.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine is sourced from PubChem (CID 79817365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).